Basic information
- Standard SMILES
N#CC(=C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cc(F)cc(F)c1- InChIKey
NIJBAUYDFVGFIO-UHFFFAOYSA-N- Molecular formula
- C24H16Cl2F2N2
- Average molar mass
- 441.3 g/mol
Names & identifiers
- Preferred name
- {1-[Bis(4-chlorophenyl)methyl]azetidin-3-ylidene}(3,5-difluorophenyl)acetonitrile
- IUPAC
- 2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]-2-(3,5-difluorophenyl)acetonitrile
Names & synonyms
SCHEMBL1528985NIJBAUYDFVGFIO-UHFFFAOYSA-N{1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene}(3,5-difluorophenyl)acetonitrile
Database identifiers
- PubChem CID
- 11316639
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 634
Related reactions
3 records
Compound notes
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